Applying multi-state modeling using AlphaFold2 for kinases and its application for ensemble screening
Jinung Song, Junsu Ha, Juyong Lee, Junsu Ko, Woong‐Hee Shin
This paper introduces a multi-state modeling protocol for kinases using AlphaFold2 to improve structure-based virtual screening by overcoming structural biases and enhancing the identification of diverse inhibitors.
bioRxiv · Apr 4, 2024 · PreprintBioinformatics